N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine

C12H24N2O2S — CID 91246743

IUPACN-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
SMILESO=S(=O)(CCCNCC1CC1)N1CCCCC1
InChIInChI=1S/C12H24N2O2S/c15-17(16,14-8-2-1-3-9-14)10-4-7-13-11-12-5-6-12/h12-13H,1-11H2
InChIKeyNLUAIRIFSCESAL-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds7

About N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine

N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine (PubChem CID 91246743) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
PubChem CID91246743
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
SMILESO=S(=O)(CCCNCC1CC1)N1CCCCC1
InChIInChI=1S/C12H24N2O2S/c15-17(16,14-8-2-1-3-9-14)10-4-7-13-11-12-5-6-12/h12-13H,1-11H2
InChIKeyNLUAIRIFSCESAL-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
4-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532798
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine (CID 91246743) is N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine is O=S(=O)(CCCNCC1CC1)N1CCCCC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
The InChIKey is NLUAIRIFSCESAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c15-17(16,14-8-2-1-3-9-14)10-4-7-13-11-12-5-6-12/h12-13H,1-11H2.
What are the key properties of N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine?
N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 91246743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).